MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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penciclovir

	Properties	Image
MNX_ID	MNXM73087
reference	chebi:7956
formula	C₁₀H₁₅N₅O₃
global charge	0
mol weight	253.262
InChIKey	JNTOCHDNEULJHD-UHFFFAOYSA-N
InChI	InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)
SMILES	NC1=NC2=C(N=CN2CCC(CO)CO)C(=O)N1

MNX internals

InChI (mnx)	InChI=1/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)
SMILES (mnx)	[CH2:1]([CH2:2][N:15]1[CH:5]=[N:12][C:7]2=[C:8]1[NH:13][C:10](=[NH:11])[N:14]=[C:9]2[OH:18])[CH:6]([CH2:3][OH:16])[CH2:4][OH:17]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:7956 chebi:7956 JNTOCHDNEULJHD-UHFFFAOYSA-N	penciclovir 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1,9-dihydro-6H-purin-6-one 9-(4-hydroxy-3-(hydroxymethyl)butyl)guanine 9-(4-hydroxy-3-hydroxymethylbut-1-yl)-guanine 9-[2-hydroxy-1-(hydroxymethyl)-ethoxymethyl]guanine 9-[4-hydroxy-3-(hydroxymethyl)but-1-yl]guanine PCV PE2 penciclovirum
seed.compound:cpd04601 seedM:cpd04601 sabiork.compound:9523 sabiorkM:9523 kegg.compound:C07417 keggC:C07417 JNTOCHDNEULJHD-UHFFFAOYSA-N	Penciclovir
kegg.drug:D05407 keggD:D05407 JNTOCHDNEULJHD-UHFFFAOYSA-N	Penciclovir (USAN/INN) Denavir (TN)
hmdb:HMDB0014444 JNTOCHDNEULJHD-UHFFFAOYSA-N	Penciclovir 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-6,9-dihydro-3H-purin-6-one 9-(4-Hydroxy-3-(hydroxymethyl)butyl)guanine 9-(4-Hydroxy-3-hydroxymethylbut-1-yl)-guanine 9-(4-Hydroxy-3-hydroxymethylbut-1-yl)guanine 9-[2-Hydroxy-1-(hydroxymethyl)-ethoxymethyl]guanine 9-[4-Hydroxy-3-(hydroxymethyl)but-1-yl]guanine Denavir Novartis brand OF penciclovir PCV PE2 Penciclovir visfarm Penciclovir, monosodium salt Penciclovir, monosodium salt, monohydrate Penciclovirum SB-CH Brand OF penciclovir Vectavir Visfarm brand OF penciclovir denavir
hmdb:HMDB14444 chebi:44870 keggC:M_C07417 keggD:M_D05407 seedM:M_cpd04601	secondary/obsolete/fantasy identifier